%0 Journal Article %1 Rahman2016Reaction %A Rahman, Syed Asad A. %A Torrance, Gilliean %A Baldacci, Lorenzo %A Mart\'ınez Cuesta, Sergio %A Fenninger, Franz %A Gopal, Nimish %A Choudhary, Saket %A May, John W. %A Holliday, Gemma L. %A Steinbeck, Christoph %A Thornton, Janet M. %D 2016 %I Oxford University Press %J Bioinformatics (Oxford, England) %K retrosynthesis %N 13 %P 2065--2066 %R 10.1093/bioinformatics/btw096 %T Reaction Decoder Tool (RDT): extracting features from chemical reactions. %U http://dx.doi.org/10.1093/bioinformatics/btw096 %V 32 %X Extracting chemical features like Atom-Atom Mapping (AAM), Bond Changes (BCs) and Reaction Centres from biochemical reactions helps us understand the chemical composition of enzymatic reactions. Reaction Decoder is a robust command line tool, which performs this task with high accuracy. It supports standard chemical input/output exchange formats i.e. RXN/SMILES, computes AAM, highlights BCs and creates images of the mapped reaction. This aids in the analysis of metabolic pathways and the ability to perform comparative studies of chemical reactions based on these features. This software is implemented in Java, supported on Windows, Linux and Mac OSX, and freely available at https://github.com/asad/ReactionDecoder : asad@ebi.ac.uk or s9asad@gmail.com. \copyright The Author 2016. Published by Oxford University Press.

@article{Rahman2016Reaction, abstract = {Extracting chemical features like {Atom-Atom} Mapping ({AAM}), Bond Changes ({BCs}) and Reaction Centres from biochemical reactions helps us understand the chemical composition of enzymatic reactions. Reaction Decoder is a robust command line tool, which performs this task with high accuracy. It supports standard chemical input/output exchange formats i.e. {RXN}/{SMILES}, computes {AAM}, highlights {BCs} and creates images of the mapped reaction. This aids in the analysis of metabolic pathways and the ability to perform comparative studies of chemical reactions based on these features. This software is implemented in Java, supported on Windows, Linux and Mac {OSX}, and freely available at {https://github.com/asad/ReactionDecoder} : asad@ebi.ac.uk or s9asad@gmail.com. {\copyright} The Author 2016. Published by Oxford University Press.}, added-at = {2018-12-02T16:09:07.000+0100}, author = {Rahman, Syed Asad A. and Torrance, Gilliean and Baldacci, Lorenzo and Mart\'{\i}nez Cuesta, Sergio and Fenninger, Franz and Gopal, Nimish and Choudhary, Saket and May, John W. and Holliday, Gemma L. and Steinbeck, Christoph and Thornton, Janet M.}, biburl = {https://www.bibsonomy.org/bibtex/2577cb3b9dc03298e970f8e0deefbf89b/karthikraman}, citeulike-article-id = {14033689}, citeulike-linkout-0 = {http://dx.doi.org/10.1093/bioinformatics/btw096}, citeulike-linkout-1 = {http://bioinformatics.oxfordjournals.org/content/early/2016/03/26/bioinformatics.btw096.abstract}, citeulike-linkout-2 = {http://bioinformatics.oxfordjournals.org/content/early/2016/03/26/bioinformatics.btw096.full.pdf}, citeulike-linkout-3 = {http://view.ncbi.nlm.nih.gov/pubmed/27153692}, citeulike-linkout-4 = {http://www.hubmed.org/display.cgi?uids=27153692}, day = 01, doi = {10.1093/bioinformatics/btw096}, interhash = {c4df130f577d886118d43a7a45ded4db}, intrahash = {577cb3b9dc03298e970f8e0deefbf89b}, issn = {1367-4811}, journal = {Bioinformatics (Oxford, England)}, keywords = {retrosynthesis}, month = jul, number = 13, pages = {2065--2066}, pmid = {27153692}, posted-at = {2016-07-25 09:50:40}, priority = {2}, publisher = {Oxford University Press}, timestamp = {2018-12-02T16:09:07.000+0100}, title = {Reaction Decoder Tool ({RDT}): extracting features from chemical reactions.}, url = {http://dx.doi.org/10.1093/bioinformatics/btw096}, volume = 32, year = 2016 }